X6RH27_HUMAN Loading...

E3 ubiquitin-protein ligase TRIM13

AlphaFold DB , UniProt , Accession X6RH27, Species HUMAN (Homo sapiens, Human), Gene TRIM13, Length 129 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.2Low86.5Confident130 Ų13086.5 Ų86.564%0.6444%0.443SS*.  0-22.90-162162.2-86.600111.2L3 L4 E5 Y82 I85M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-E5 PolarHBondContact O-N 3.17Å; M1-Y82 HydrophobicContact CG-CE2 3.6Å; M1-Y82 HydrophobicContact SD-CE2 4.13Å; M1-I85 HydrophobicContact CE-CG2 3.52Å; M1-I85 HydrophobicContact SD-CG2 4Å
2E65.5Low87.2Confident163 Ų16384.5 Ų84.576%0.76243%0.433SS*.Hα-helixtrans-55.8-42.6173.7-65.7172.617200113.4L4 E5E2-L4 PolarHBondContact O-N 2.74Å; E2-L4 VanDerWaalsContact O-N 3.16Å; E2-E5 WeakPolarHBondContact O-CB 3.36Å; E2-E5 PolarHBondContact O-N 2.86Å
3L76.3Confident87.9Confident139 Ų13982.2 Ų82.273%0.72843%0.428SS*.Hα-helixtrans-57.5-31.6177-63.3172.7000113.9M1M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.42Å
4L86.4Confident88.4Confident78 Ų7883.5 Ų83.541%0.40845%0.446SS..Hα-helixtrans-80.7-25.1178.8-176.662.8000111.9M1 E2 E6 D7 L8 Y82M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 VanDerWaalsContact O-N 3.15Å; E2-L4 PolarHBondContact O-N 2.74Å; E2-L4 VanDerWaalsContact O-N 3.16Å; L4-E6 VanDerWaalsContact C-N 3.3Å; L4-D7 PolarHBondContact O-N 2.96Å; L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.49Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 2.96Å; L4-Y82 HydrophobicContact CB-CE2 4.5Å; L4-Y82 HydrophobicContact CD2-CD2 3.95Å; L4-Y82 HydrophobicContact CD2-CE2 4.26Å; L4-Y82 HydrophobicContact CG-CD2 4.33Å; L4-Y82 HydrophobicContact CG-CE2 4.41Å
5E91.1Very high89Confident61 Ų6182.4 Ų82.429%0.28545%0.448SS..Hα-helixtrans-65.5-38.2178.3-167.4153.9158.500110.9M1 E2 L8 T9 L16 Y82 K86M1-E5 PolarHBondContact O-N 3.17Å; E2-E5 WeakPolarHBondContact O-CB 3.36Å; E2-E5 PolarHBondContact O-N 2.86Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 3.24Å; E5-T9 WeakPolarHBondContact O-CB 3.33Å; E5-T9 PolarHBondContact O-N 3.29Å; E5-T9 PolarHBondContact O-OG1 3.18Å; E5-L16 HydrophobicContact CG-CD2 4.16Å; E5-Y82 HydrophobicContact CB-CE1 4.49Å; E5-Y82 WeakPolarHBondContact CB-OH 3.35Å; E5-Y82 HydrophobicContact CG-CE1 4.25Å; E5-Y82 PolarHBondContact OE2-OH 3.11Å; E5-K86 IonicContact OE1-NZ 3.47Å; E5-K86 PolarHBondContact OE1-NZ 2.98Å; E5-K86 IonicContact OE2-NZ 3.27Å; E5-K86 PolarHBondContact OE2-NZ 3.45Å
6E90.6Very high89.4Confident139 Ų13979.4 Ų79.465%0.6543%0.431SS*.Hα-helixtrans-59.9-46.1176.6-65178.4-168.300111.7L4 L8 T9L4-E6 VanDerWaalsContact C-N 3.3Å; E6-L8 PolarHBondContact O-N 3.13Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 VanDerWaalsContact O-N 3.17Å
7D92.6Very high89.9Confident120 Ų12075.9 Ų75.964%0.64241%0.411SS*.Hα-helixtrans-65-22.4177.9-71.1-30.2000113.5L4L4-D7 PolarHBondContact O-N 2.96Å
8L95.9Very high90.3Very high7 Ų776.8 Ų76.84%0.03742%0.416CS..THydrogen-bonded Turntrans-100.47.5-179.4-62.8-179.9000113.1L4 E5 E6 L16 F17 L75 I78 V79 Y82L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.49Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.41Å; L4-L8 PolarHBondContact O-N 2.96Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 3.24Å; E6-L8 PolarHBondContact O-N 3.13Å; L8-L16 HydrophobicContact CB-CD2 3.72Å; L8-L16 VanDerWaalsContact O-CA 3.31Å; L8-L16 WeakPolarHBondContact O-CA 3.45Å; L8-F17 VanDerWaalsContact C-CD2 3.44Å; L8-F17 WeakPolarHBondContact O-CD2 3.45Å; L8-F17 PolarHBondContact O-N 3.19Å; L8-L75 HydrophobicContact CD2-CD1 3.74Å; L8-I78 HydrophobicContact CD1-CG2 4.01Å; L8-I78 HydrophobicContact CD2-CB 4.3Å; L8-I78 HydrophobicContact CD2-CG2 3.59Å; L8-I78 HydrophobicContact CG-CG2 4.44Å; L8-V79 HydrophobicContact CB-CG2 4.19Å; L8-V79 HydrophobicContact CD2-CG2 4.19Å; L8-Y82 HydrophobicContact CD1-CD1 4.27Å; L8-Y82 HydrophobicContact CD1-CD2 3.91Å; L8-Y82 HydrophobicContact CD1-CG 3.68Å
9T96.3Very high90.7Very high37 Ų3774.6 Ų74.623%0.22740%0.404CS..BIsolated β-bridgetrans-101.1133.5-175.9-68.80000111.7E5 E6 C14 F17E5-T9 WeakPolarHBondContact O-CB 3.33Å; E5-T9 PolarHBondContact O-N 3.29Å; E5-T9 PolarHBondContact O-OG1 3.18Å; E6-T9 WeakPolarHBondContact O-CB 3.49Å; E6-T9 PolarHBondContact O-N 3.26Å; E6-T9 VanDerWaalsContact O-N 3.17Å; T9-C14 VanDerWaalsContact CG2-C 3.4Å; T9-F17 WeakPolarHBondContact O-CE2 3.45Å; T9-F17 WeakPolarHBondContact O-CZ 3.5Å
10C97.6Very high91Very high0 Ų070.9 Ų70.90%038%0.383CS..  trans-70.2127.5172.81780000110.1I12 C13 C14 S15 F17 C30C10-I12 PolarHBondContact O-N 3.09Å; C10-I12 VanDerWaalsContact O-N 3.1Å; C10-C13 VanDerWaalsContact CB-SG 3.57Å; C10-C14 VanDerWaalsContact O-CA 3.3Å; C10-C14 WeakPolarHBondContact O-CA 3.42Å; C10-C14 PolarHBondContact O-N 3.27Å; C10-S15 PolarHBondContact N-O 3.2Å; C10-F17 VanDerWaalsContact CA-CE1 3.47Å; C10-F17 HydrophobicContact CB-CD1 3.73Å; C10-F17 HydrophobicContact CB-CE1 3.68Å; C10-F17 HydrophobicContact CB-CG 4.43Å; C10-F17 HydrophobicContact CB-CZ 4.36Å; C10-C30 WeakPolarHBondContact CB-SG 3.42Å; C10-C30 VanDerWaalsContact SG-SG 3.66Å
11P95.6Very high91.2Very high77 Ų7769 Ų6950%0.537%0.37SS..THydrogen-bonded Turntrans-72-5.3-176.831.2-38.8000113.9F29P11-F29 HydrophobicContact CG-CD1 3.77Å; P11-F29 HydrophobicContact CG-CE1 3.5Å; P11-F29 VanDerWaalsContact CG-CE1 3.5Å
12I95.1Very high92.8Very high63 Ų6364.7 Ų64.732%0.32335%0.352SS..THydrogen-bonded Turntrans-94.8-52.5178.5-60.8164.9000111.1C10 F29 C33 I37 P55C10-I12 PolarHBondContact O-N 3.09Å; C10-I12 VanDerWaalsContact O-N 3.1Å; I12-F29 HydrophobicContact CD1-CB 4.08Å; I12-F29 HydrophobicContact CD1-CD1 3.35Å; I12-F29 HydrophobicContact CD1-CE1 4.08Å; I12-F29 HydrophobicContact CD1-CG 3.94Å; I12-F29 HydrophobicContact CG1-CD1 3.8Å; I12-F29 HydrophobicContact CG1-CE1 4.27Å; I12-C33 HydrophobicContact CB-CB 3.87Å; I12-C33 HydrophobicContact CD1-CB 3.6Å; I12-C33 HydrophobicContact CG1-CB 4.36Å; I12-C33 HydrophobicContact CG2-CB 3.8Å; I12-I37 HydrophobicContact CD1-CD1 3.56Å; I12-I37 HydrophobicContact CG1-CD1 4.46Å; I12-P55 HydrophobicContact CD1-CG 4.15Å
13C96.6Very high94.1Very high54 Ų5457.1 Ų57.137%0.36532%0.317SS..THydrogen-bonded Turntrans-95.4-2.5-178.362.40000113.9C10 S15C10-C13 VanDerWaalsContact CB-SG 3.57Å; C13-S15 PolarHBondContact O-N 3.49Å; C13-S15 PolarHBondContact O-OG 3.32Å
14C95.3Very high94.9Very high101 Ų10154.9 Ų54.968%0.68231%0.31SS*.SBendtrans51.231.9-178-56.60000113.1T9 C10T9-C14 VanDerWaalsContact CG2-C 3.4Å; C10-C14 VanDerWaalsContact O-CA 3.3Å; C10-C14 WeakPolarHBondContact O-CA 3.42Å; C10-C14 PolarHBondContact O-N 3.27Å
15S96.3Very high95.2Very high67 Ų6752.2 Ų52.247%0.46930%0.298SS..SBendtrans-126.4160.4177.5-57.30000109.6C10 C13C10-S15 PolarHBondContact N-O 3.2Å; C13-S15 PolarHBondContact O-N 3.49Å; C13-S15 PolarHBondContact O-OG 3.32Å
16L96.3Very high95.4Very high35 Ų3553.7 Ų53.718%0.18332%0.315CS..BIsolated β-bridgetrans-50.5142.6174.2-67.9178.3000111.4E5 L8 D18 V79 Y82 N83E5-L16 HydrophobicContact CG-CD2 4.16Å; L8-L16 HydrophobicContact CB-CD2 3.72Å; L8-L16 VanDerWaalsContact O-CA 3.31Å; L8-L16 WeakPolarHBondContact O-CA 3.45Å; L16-D18 PolarHBondContact O-N 3.44Å; L16-V79 HydrophobicContact CB-CG1 4.03Å; L16-V79 HydrophobicContact CD1-CG1 4.37Å; L16-Y82 HydrophobicContact CD1-CD1 3.92Å; L16-Y82 HydrophobicContact CD1-CE1 4.14Å; L16-Y82 HydrophobicContact CD2-CD1 4.24Å; L16-Y82 HydrophobicContact CD2-CE1 4.26Å; L16-N83 WeakPolarHBondContact CD1-OD1 3.12Å
17F98Very high95.6Very high20 Ų2050 Ų509%0.08830%0.297CS..  trans-57.5125.1-178.2-73.3-76.3000112.6L8 T9 C10 P20 N28 L75 V79L8-F17 VanDerWaalsContact C-CD2 3.44Å; L8-F17 WeakPolarHBondContact O-CD2 3.45Å; L8-F17 PolarHBondContact O-N 3.19Å; T9-F17 WeakPolarHBondContact O-CE2 3.45Å; T9-F17 WeakPolarHBondContact O-CZ 3.5Å; C10-F17 VanDerWaalsContact CA-CE1 3.47Å; C10-F17 HydrophobicContact CB-CD1 3.73Å; C10-F17 HydrophobicContact CB-CE1 3.68Å; C10-F17 HydrophobicContact CB-CG 4.43Å; C10-F17 HydrophobicContact CB-CZ 4.36Å; F17-P20 HydrophobicContact CB-CB 4.04Å; F17-P20 HydrophobicContact CB-CG 4.34Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.3Å; F17-N28 HydrophobicContact CE1-CB 4.03Å; F17-N28 VanDerWaalsContact CE1-O 3.25Å; F17-N28 WeakPolarHBondContact CE1-O 3.49Å; F17-N28 HydrophobicContact CZ-CB 4.15Å; F17-L75 HydrophobicContact CB-CD2 4.48Å; F17-L75 HydrophobicContact CB-CG 4.5Å; F17-L75 HydrophobicContact CD1-CD2 4.33Å; F17-L75 HydrophobicContact CD2-CD1 3.96Å; F17-L75 HydrophobicContact CD2-CD2 3.64Å; F17-L75 HydrophobicContact CD2-CG 3.99Å; F17-L75 HydrophobicContact CE2-CD1 4.38Å; F17-L75 HydrophobicContact CE2-CD2 3.86Å; F17-L75 HydrophobicContact CG-CD2 3.9Å; F17-L75 HydrophobicContact CG-CG 4.34Å; F17-L75 HydrophobicContact CZ-CD2 4.3Å; F17-V79 HydrophobicContact CB-CG2 4.17Å
18D97.1Very high95.8Very high92 Ų9246 Ų4649%0.49228%0.276SS..SBendtrans-114.3125.2171179.641.8000109.3L16 C30 K32L16-D18 PolarHBondContact O-N 3.44Å; D18-C30 PolarHBondContact N-SG 2.88Å; D18-C30 VanDerWaalsContact O-CA 3.25Å; D18-C30 WeakPolarHBondContact O-CA 3.48Å; D18-C30 WeakPolarHBondContact O-CB 3.34Å; D18-K32 IonicContact OD2-NZ 3.95Å
19D96.9Very high95.9Very high35 Ų3545.6 Ų45.619%0.18727%0.274CS..SBendtrans41.663.2-170.7-167.536.4000113.1R21 K31D19-R21 PolarHBondContact O-N 2.67Å; D19-R21 IonicContact OD1-NE 2.75Å; D19-R21 IonicContact OD1-NH2 3.8Å; D19-R21 IonicContact OD2-CZ 2.78Å; D19-R21 IonicContact OD2-NE 3.44Å; D19-R21 PolarHBondContact OD2-NE 3.02Å; D19-R21 IonicContact OD2-NH2 2.89Å; D19-R21 PolarHBondContact OD2-NH2 2.66Å; D19-K31 HydrophobicContact CB-CB 4.14Å; D19-K31 PolarHBondContact O-N 3.08Å; D19-K31 VanDerWaalsContact O-N 3.12Å; D19-K31 WeakPolarHBondContact OD2-CB 3.37Å; D19-K31 WeakPolarHBondContact OD2-CD 3.28Å
20P97.6Very high96Very high0 Ų044.1 Ų44.10%027%0.265CS..EExtended strand (participates in β ladder)trans-64.3123.7-173.723.4-32000111.7F17 F29 V71 N72 L75 K76F17-P20 HydrophobicContact CB-CB 4.04Å; F17-P20 HydrophobicContact CB-CG 4.34Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.3Å; P20-F29 WeakPolarHBondContact CA-O 3.27Å; P20-V71 CarbonylContact O-C 3.56Å; P20-V71 WeakPolarHBondContact O-CA 3.45Å; P20-N72 HydrophobicContact CB-CB 4.43Å; P20-N72 HydrophobicContact CG-CB 4.49Å; P20-N72 PolarHBondContact O-N 3.43Å; P20-L75 HydrophobicContact CB-CD2 3.85Å; P20-L75 HydrophobicContact CB-CG 4.28Å; P20-L75 HydrophobicContact CG-CB 4.29Å; P20-L75 HydrophobicContact CG-CD2 4.35Å; P20-L75 HydrophobicContact CG-CG 4.24Å; P20-K76 HydrophobicContact CG-CB 3.91Å
21R95.8Very high95.8Very high30 Ų3046.6 Ų46.611%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-101.2133.6173.5-59.2-63.9171.1163.7-8.6109.8D19 N28 F29 K31 L34 I66 L69 Q70 V71D19-R21 PolarHBondContact O-N 2.67Å; D19-R21 IonicContact OD1-NE 2.75Å; D19-R21 IonicContact OD1-NH2 3.8Å; D19-R21 IonicContact OD2-CZ 2.78Å; D19-R21 IonicContact OD2-NE 3.44Å; D19-R21 PolarHBondContact OD2-NE 3.02Å; D19-R21 IonicContact OD2-NH2 2.89Å; D19-R21 PolarHBondContact OD2-NH2 2.66Å; R21-N28 WeakPolarHBondContact O-CA 3.11Å; R21-F29 PolarHBondContact N-O 3.33Å; R21-F29 PolarHBondContact O-N 3.38Å; R21-F29 VanDerWaalsContact O-N 3.09Å; R21-K31 HydrophobicContact CG-CB 4.01Å; R21-K31 HydrophobicContact CG-CG 4.5Å; R21-L34 HydrophobicContact CB-CD1 3.68Å; R21-L34 HydrophobicContact CG-CD1 4.27Å; R21-I66 HydrophobicContact CG-CG2 4.45Å; R21-L69 HydrophobicContact CB-CB 4.07Å; R21-L69 HydrophobicContact CB-CD1 4.28Å; R21-L69 PolarHBondContact NH1-O 3.42Å; R21-Q70 WeakPolarHBondContact CA-O 3.44Å; R21-V71 VanDerWaalsContact NH1-CG2 3.26Å
22V95.4Very high95.8Very high41 Ų4149.8 Ų49.825%0.24828%0.282CS..EExtended strand (participates in β ladder)trans-97.8127.8176.963.80000110.3Q70 N72V22-Q70 HydrophobicContact CG1-CB 3.91Å; V22-Q70 PolarHBondContact N-O 3.06Å; V22-N72 HydrophobicContact CB-CB 4.46Å
23L93.6Very high95.8Very high4 Ų447.6 Ų47.62%0.02127%0.272CS..PPolyproline II helixtrans-81.3160.9172.3-78.569.2000109.9C25 S26 H27 F29 L34 F52 C54 T61 L69L23-C25 PolarHBondContact O-N 3.17Å; L23-S26 WeakPolarHBondContact O-CA 3.34Å; L23-S26 PolarHBondContact O-N 2.82Å; L23-H27 PolarHBondContact N-O 3.17Å; L23-F29 HydrophobicContact CD1-CD2 3.43Å; L23-F29 VanDerWaalsContact CD1-CD2 3.43Å; L23-F29 HydrophobicContact CD1-CE2 3.72Å; L23-F29 HydrophobicContact CD2-CE2 4.08Å; L23-L34 HydrophobicContact CD1-CD1 4.08Å; L23-L34 HydrophobicContact CD1-CD2 4.27Å; L23-F52 HydrophobicContact CD2-CE2 3.96Å; L23-F52 HydrophobicContact CD2-CZ 4.3Å; L23-F52 HydrophobicContact CG-CZ 4.47Å; L23-C54 HydrophobicContact CD2-CB 3.8Å; L23-T61 WeakPolarHBondContact CD2-OG1 3.49Å; L23-T61 HydrophobicContact CG-CG2 4.41Å; L23-L69 HydrophobicContact CD1-CD1 4.43Å
24P91.9Very high95.5Very high92 Ų9245.1 Ų45.160%0.59726%0.255SS*.THydrogen-bonded Turntrans-57-20.8173.4-25.835.3000114.5S26 T61P24-S26 PolarHBondContact O-N 2.83Å; P24-T61 HydrophobicContact CG-CG2 4.28Å
25C93.9Very high95.3Very high22 Ų2243.2 Ų43.215%0.14924%0.236CC..THydrogen-bonded Turntrans-83.48.1172.766.10000114.4L23 H27 C57 K59L23-C25 PolarHBondContact O-N 3.17Å; C25-H27 PolarHBondContact O-N 3.47Å; C25-H27 PolarHBondContact SG-ND1 2.8Å; C25-C57 VanDerWaalsContact SG-SG 3.66Å; C25-K59 HydrophobicContact CB-CB 4.18Å; C25-K59 HydrophobicContact CB-CD 3.81Å
26S94.4Very high94.8Very high91 Ų9142 Ų4264%0.63623%0.234SC*.SBendtrans68.53.3179.5-50.10000116.8L23 P24 N28L23-S26 WeakPolarHBondContact O-CA 3.34Å; L23-S26 PolarHBondContact O-N 2.82Å; P24-S26 PolarHBondContact O-N 2.83Å; S26-N28 PolarHBondContact O-ND2 3.15Å
27H95.9Very high94.2Very high61 Ų6143 Ų4328%0.28224%0.24SC..  trans-76.8149.3169.8-67102.6000111.6L23 C25 F29 C57L23-H27 PolarHBondContact N-O 3.17Å; C25-H27 PolarHBondContact O-N 3.47Å; C25-H27 PolarHBondContact SG-ND1 2.8Å; H27-F29 HydrophobicContact CB-CE2 3.65Å; H27-F29 HydrophobicContact CB-CZ 3.94Å; H27-C57 PolarHBondContact ND1-SG 2.96Å; H27-C57 VanDerWaalsContact ND1-SG 3.43Å
28N97Very high93.3Very high36 Ų3644.6 Ų44.619%0.19325%0.248CC..EExtended strand (participates in β ladder)trans-117.3141.3-174-55.8-90.8000109.9F17 R21 S26 N72 L75F17-N28 HydrophobicContact CE1-CB 4.03Å; F17-N28 VanDerWaalsContact CE1-O 3.25Å; F17-N28 WeakPolarHBondContact CE1-O 3.49Å; F17-N28 HydrophobicContact CZ-CB 4.15Å; R21-N28 WeakPolarHBondContact O-CA 3.11Å; S26-N28 PolarHBondContact O-ND2 3.15Å; N28-N72 PolarHBondContact OD1-ND2 3.27Å; N28-L75 HydrophobicContact CB-CD2 3.65Å
29F96.8Very high92.2Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-147.5155.5176.3-54.1-87.4000109.7P11 I12 P20 R21 L23 H27 L34 P55 T56P11-F29 HydrophobicContact CG-CD1 3.77Å; P11-F29 HydrophobicContact CG-CE1 3.5Å; P11-F29 VanDerWaalsContact CG-CE1 3.5Å; I12-F29 HydrophobicContact CD1-CB 4.08Å; I12-F29 HydrophobicContact CD1-CD1 3.35Å; I12-F29 HydrophobicContact CD1-CE1 4.08Å; I12-F29 HydrophobicContact CD1-CG 3.94Å; I12-F29 HydrophobicContact CG1-CD1 3.8Å; I12-F29 HydrophobicContact CG1-CE1 4.27Å; P20-F29 WeakPolarHBondContact CA-O 3.27Å; R21-F29 PolarHBondContact N-O 3.33Å; R21-F29 PolarHBondContact O-N 3.38Å; R21-F29 VanDerWaalsContact O-N 3.09Å; L23-F29 HydrophobicContact CD1-CD2 3.43Å; L23-F29 VanDerWaalsContact CD1-CD2 3.43Å; L23-F29 HydrophobicContact CD1-CE2 3.72Å; L23-F29 HydrophobicContact CD2-CE2 4.08Å; H27-F29 HydrophobicContact CB-CE2 3.65Å; H27-F29 HydrophobicContact CB-CZ 3.94Å; F29-L34 HydrophobicContact CB-CD1 4.15Å; F29-L34 HydrophobicContact CB-CD2 3.79Å; F29-L34 HydrophobicContact CB-CG 3.77Å; F29-L34 HydrophobicContact CD2-CD2 3.9Å; F29-L34 HydrophobicContact CG-CD2 3.95Å; F29-L34 HydrophobicContact CG-CG 4.47Å; F29-P55 HydrophobicContact CD1-CG 4.5Å; F29-P55 HydrophobicContact CE1-CB 3.88Å; F29-P55 HydrophobicContact CE1-CG 3.94Å; F29-P55 HydrophobicContact CZ-CB 4.1Å; F29-P55 HydrophobicContact CZ-CG 4.05Å; F29-T56 WeakPolarHBondContact CZ-OG1 3.46Å
30C97.9Very high90.5Very high6 Ų647 Ų474%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-64143.3172.5-53.80000110.4C10 D18 K32 C33 L34C10-C30 WeakPolarHBondContact CB-SG 3.42Å; C10-C30 VanDerWaalsContact SG-SG 3.66Å; D18-C30 PolarHBondContact N-SG 2.88Å; D18-C30 VanDerWaalsContact O-CA 3.25Å; D18-C30 WeakPolarHBondContact O-CA 3.48Å; D18-C30 WeakPolarHBondContact O-CB 3.34Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 2.81Å; C30-C33 HydrophobicContact CB-CB 4.17Å; C30-C33 WeakPolarHBondContact O-CB 3.36Å; C30-C33 PolarHBondContact O-N 3.32Å; C30-L34 PolarHBondContact O-N 3.49Å; C30-L34 VanDerWaalsContact O-N 3.14Å
31K95.3Very high88.7Confident51 Ų5149 Ų4922%0.22228%0.281CS..Hα-helixtrans-49.6-51.4176-179-179.2174.9178.30112.2D19 R21 C33 L34 E35 I66 N67D19-K31 HydrophobicContact CB-CB 4.14Å; D19-K31 PolarHBondContact O-N 3.08Å; D19-K31 VanDerWaalsContact O-N 3.12Å; D19-K31 WeakPolarHBondContact OD2-CB 3.37Å; D19-K31 WeakPolarHBondContact OD2-CD 3.28Å; R21-K31 HydrophobicContact CG-CB 4.01Å; R21-K31 HydrophobicContact CG-CG 4.5Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 3.31Å; K31-L34 PolarHBondContact O-N 2.93Å; K31-L34 VanDerWaalsContact O-N 3.1Å; K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 HydrophobicContact CG-CG 4.45Å; K31-E35 IonicContact NZ-OE1 3.9Å; K31-E35 WeakPolarHBondContact O-CG 3.36Å; K31-E35 PolarHBondContact O-N 2.99Å; K31-I66 HydrophobicContact CG-CG2 3.96Å; K31-N67 VanDerWaalsContact CE-OD1 3.31Å; K31-N67 WeakPolarHBondContact CE-OD1 3.47Å; K31-N67 PolarHBondContact NZ-OD1 2.98Å
32K94.9Very high86.7Confident144 Ų14452.1 Ų52.163%0.62630%0.303SS*.Hα-helixtrans-59.3-36.1179.4-68.1175.4-179.4159.30113.2D18 C30 E35 G36D18-K32 IonicContact OD2-NZ 3.95Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 2.81Å; K32-E35 WeakPolarHBondContact CA-OE2 3.34Å; K32-E35 PolarHBondContact O-N 3.39Å; K32-G36 PolarHBondContact O-N 3.16Å
33C94.9Very high84.7Confident18 Ų1860.4 Ų60.412%0.12233%0.33CS..Hα-helixtrans-67.4-39177.6-66.40000111.6I12 C30 K31 I37I12-C33 HydrophobicContact CB-CB 3.87Å; I12-C33 HydrophobicContact CD1-CB 3.6Å; I12-C33 HydrophobicContact CG1-CB 4.36Å; I12-C33 HydrophobicContact CG2-CB 3.8Å; C30-C33 HydrophobicContact CB-CB 4.17Å; C30-C33 WeakPolarHBondContact O-CB 3.36Å; C30-C33 PolarHBondContact O-N 3.32Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 3.31Å; C33-I37 WeakPolarHBondContact O-CG1 3.36Å; C33-I37 PolarHBondContact O-N 3.42Å
34L91.2Very high82.5Confident2 Ų267 Ų671%0.0137%0.365CS..Hα-helixtrans-71.2-37.2175.6-64.8175.5000112.3R21 L23 F29 C30 K31 I37 L38 F52 I66 L69R21-L34 HydrophobicContact CB-CD1 3.68Å; R21-L34 HydrophobicContact CG-CD1 4.27Å; L23-L34 HydrophobicContact CD1-CD1 4.08Å; L23-L34 HydrophobicContact CD1-CD2 4.27Å; F29-L34 HydrophobicContact CB-CD1 4.15Å; F29-L34 HydrophobicContact CB-CD2 3.79Å; F29-L34 HydrophobicContact CB-CG 3.77Å; F29-L34 HydrophobicContact CD2-CD2 3.9Å; F29-L34 HydrophobicContact CG-CD2 3.95Å; F29-L34 HydrophobicContact CG-CG 4.47Å; C30-L34 PolarHBondContact O-N 3.49Å; C30-L34 VanDerWaalsContact O-N 3.14Å; K31-L34 PolarHBondContact O-N 2.93Å; K31-L34 VanDerWaalsContact O-N 3.1Å; L34-I37 PolarHBondContact O-N 3.12Å; L34-L38 PolarHBondContact O-N 3.2Å; L34-L38 VanDerWaalsContact O-N 3.08Å; L34-F52 HydrophobicContact CD2-CE2 4.23Å; L34-I66 HydrophobicContact CB-CD1 3.6Å; L34-I66 HydrophobicContact CB-CG1 3.97Å; L34-I66 HydrophobicContact CB-CG2 3.94Å; L34-I66 HydrophobicContact CD1-CG2 4.3Å; L34-L69 HydrophobicContact CD1-CD1 3.62Å
35E89.6Confident80.5Confident60 Ų6065.5 Ų65.528%0.2836%0.357SS..Hα-helixtrans-59.4-47.5174.1-72.6171.4152.100111.1K31 K32 I37 L38 E39 I66K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 HydrophobicContact CG-CG 4.45Å; K31-E35 IonicContact NZ-OE1 3.9Å; K31-E35 WeakPolarHBondContact O-CG 3.36Å; K31-E35 PolarHBondContact O-N 2.99Å; K32-E35 WeakPolarHBondContact CA-OE2 3.34Å; K32-E35 PolarHBondContact O-N 3.39Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 3.45Å; E35-L38 PolarHBondContact O-N 3.18Å; E35-L38 VanDerWaalsContact O-N 3.11Å; E35-E39 WeakPolarHBondContact O-CG 3.48Å; E35-E39 PolarHBondContact O-N 3.15Å; E35-I66 HydrophobicContact CG-CB 4.25Å; E35-I66 HydrophobicContact CG-CG1 4.14Å; E35-I66 HydrophobicContact CG-CG2 4.23Å
36G86.5Confident78.5Confident42 Ų4272.2 Ų72.243%0.43339%0.391SS..Hα-helixtrans-61.4-35.9177.700000114K32 G40K32-G36 PolarHBondContact O-N 3.16Å; G36-G40 PolarHBondContact O-N 3.41Å; G36-G40 VanDerWaalsContact O-N 3.09Å
37I83.8Confident76.2Confident57 Ų5779.2 Ų79.229%0.29240%0.403SS..Hα-helixtrans-65.3-44.5174.3-68.7167.7000110.5I12 C33 L34 E35 G40 S41 P55I12-I37 HydrophobicContact CD1-CD1 3.56Å; I12-I37 HydrophobicContact CG1-CD1 4.46Å; C33-I37 WeakPolarHBondContact O-CG1 3.36Å; C33-I37 PolarHBondContact O-N 3.42Å; L34-I37 PolarHBondContact O-N 3.12Å; E35-I37 VanDerWaalsContact C-N 3.32Å; E35-I37 PolarHBondContact O-N 3.45Å; I37-G40 PolarHBondContact O-N 3.17Å; I37-S41 PolarHBondContact O-N 3.23Å; I37-S41 PolarHBondContact O-OG 2.66Å; I37-P55 HydrophobicContact CD1-CG 3.64Å
38L79.4Confident74Confident52 Ų5285.8 Ų85.827%0.27243%0.425SS..Hα-helixtrans-66.7-44.6-177.9-166.564.9000110.8L34 E35 G40 S41 V42 I66L34-L38 PolarHBondContact O-N 3.2Å; L34-L38 VanDerWaalsContact O-N 3.08Å; E35-L38 PolarHBondContact O-N 3.18Å; E35-L38 VanDerWaalsContact O-N 3.11Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 2.99Å; L38-S41 WeakPolarHBondContact CA-OG 3.48Å; L38-S41 PolarHBondContact O-N 2.78Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 3.12Å; L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.36Å; L38-V42 VanDerWaalsContact O-N 3.1Å; L38-I66 HydrophobicContact CD2-CD1 4.38Å; L38-I66 HydrophobicContact CD2-CG1 4.2Å
39E73.1Confident71.9Confident135 Ų13590.1 Ų90.163%0.63146%0.456SS*.Hα-helixtrans-58.8-41.4174.6-72.1176.8-168.200112.7E35 S41E35-E39 WeakPolarHBondContact O-CG 3.48Å; E35-E39 PolarHBondContact O-N 3.15Å; E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.6Å
40G62.6Low70.1Confident42 Ų4292.6 Ų92.643%0.43348%0.476SS..Hα-helixtrans-64.6-36175.100000113.2G36 I37 L38G36-G40 PolarHBondContact O-N 3.41Å; G36-G40 VanDerWaalsContact O-N 3.09Å; I37-G40 PolarHBondContact O-N 3.17Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-G40 PolarHBondContact O-N 2.99Å
41S59Low68.7Low44 Ų4495.7 Ų95.731%0.30850%0.496SS..Hα-helixtrans-74.3-29.6-179.965.70000114.2I37 L38 E39 R43 N44I37-S41 PolarHBondContact O-N 3.23Å; I37-S41 PolarHBondContact O-OG 2.66Å; L38-S41 WeakPolarHBondContact CA-OG 3.48Å; L38-S41 PolarHBondContact O-N 2.78Å; L38-S41 VanDerWaalsContact O-N 3.13Å; L38-S41 PolarHBondContact O-OG 3.12Å; E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.6Å; S41-R43 VanDerWaalsContact C-N 3.26Å; S41-R43 PolarHBondContact O-N 3.32Å; S41-N44 PolarHBondContact O-N 3.31Å
42V54.1Low67.9Low94 Ų9494.1 Ų94.157%0.5749%0.49SS*.Hα-helixtrans-65.1-30.3176.6172.30000111.8L38 N44 S45L38-V42 WeakPolarHBondContact O-CG2 3.3Å; L38-V42 PolarHBondContact O-N 3.36Å; L38-V42 VanDerWaalsContact O-N 3.1Å; V42-N44 PolarHBondContact O-N 2.81Å; V42-S45 PolarHBondContact O-N 3.12Å
43R52.2Low67.6Low216 Ų21693 Ų9382%0.81549%0.485SS*.THydrogen-bonded Turntrans-65.2-22.8176.3-63-173.6179.4-164.9-0.1113.4S41S41-R43 VanDerWaalsContact C-N 3.26Å; S41-R43 PolarHBondContact O-N 3.32Å
44N49.1Very low67.4Low141 Ų14192.2 Ų92.275%0.75448%0.479SS*.THydrogen-bonded Turntrans-102.90.1-175.5-75.2-6.8000114.1S41 V42S41-N44 PolarHBondContact O-N 3.31Å; V42-N44 PolarHBondContact O-N 2.81Å
45S49.8Very low67.4Low62 Ų6295 Ų9543%0.43450%0.497SS..  trans-149.887.7-176.5-71.60000111.5V42 W47V42-S45 PolarHBondContact O-N 3.12Å; S45-W47 PolarHBondContact O-N 2.67Å; S45-W47 VanDerWaalsContact O-N 3.08Å
46L51.2Low67.6Low162 Ų16295.7 Ų95.785%0.84851%0.506SS*.THydrogen-bonded Turntrans-67.6-0.9-178-71.6165.9000115
47W46.7Very low67.9Low238 Ų23895.9 Ų95.990%0.90250%0.5SS*.THydrogen-bonded Turntrans-142.516.2-163.5-90.592.3000117.1S45S45-W47 PolarHBondContact O-N 2.67Å; S45-W47 VanDerWaalsContact O-N 3.08Å
48R48.5Very low68.3Low199 Ų199102.6 Ų102.675%0.75152%0.522SS*.SBendtrans-169143.4166.1-156.8163-75.3-102.2-0.3110.8A50R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 3Å
49P54.4Low68.8Low128 Ų128106.4 Ų106.483%0.83154%0.536SS*.  trans-63.596159.3-6.420.9000106.8
50A58.2Low69.4Low51 Ų51106 Ų10642%0.42153%0.534SS..PPolyproline II helixtrans-69136.1178.200000108.6R48 F52R48-A50 VanDerWaalsContact C-N 3.27Å; R48-A50 PolarHBondContact O-N 3Å; A50-F52 PolarHBondContact O-N 3.27Å
51P67.6Low70.2Confident72 Ų72104.1 Ų104.147%0.46851%0.514SS..PPolyproline II helixtrans-59.4122.417024.9-31.5000108.4
52F79.8Confident70.9Confident18 Ų18107.1 Ų107.18%0.07954%0.535CS..EExtended strand (participates in β ladder)trans-80.7151.9178.379.1-84.3000110.2L23 L34 A50 T61 A63 I66 L69L23-F52 HydrophobicContact CD2-CE2 3.96Å; L23-F52 HydrophobicContact CD2-CZ 4.3Å; L23-F52 HydrophobicContact CG-CZ 4.47Å; L34-F52 HydrophobicContact CD2-CE2 4.23Å; A50-F52 PolarHBondContact O-N 3.27Å; F52-T61 HydrophobicContact CE1-CG2 3.69Å; F52-T61 HydrophobicContact CE2-CG2 4.47Å; F52-T61 HydrophobicContact CZ-CG2 3.66Å; F52-T61 WeakPolarHBondContact O-CB 3.38Å; F52-T61 PolarHBondContact O-N 3.13Å; F52-A63 HydrophobicContact CE1-CB 4.41Å; F52-I66 HydrophobicContact CE1-CD1 4.23Å; F52-I66 HydrophobicContact CZ-CD1 4.22Å; F52-L69 HydrophobicContact CZ-CD1 4.32Å
53K87.5Confident71.6Confident121 Ų121103.7 Ų103.753%0.52652%0.517SS..EExtended strand (participates in β ladder)trans-98.6142.6-178.4-65.5-176.7-179.4-176.80110.2P55 E60K53-P55 WeakPolarHBondContact O-CD 3.4Å; K53-E60 HydrophobicContact CG-CG 4.18Å
54C91.3Very high72.4Confident1 Ų199.9 Ų99.91%0.00752%0.518CS..PPolyproline II helixtrans-58.5127.5172.7175.70000110.4L23 T56 C57 R58 K59L23-C54 HydrophobicContact CD2-CB 3.8Å; C54-T56 PolarHBondContact O-N 3.47Å; C54-T56 PolarHBondContact SG-N 3.07Å; C54-T56 VanDerWaalsContact SG-N 3.45Å; C54-C57 VanDerWaalsContact SG-SG 3.62Å; C54-R58 WeakPolarHBondContact O-CA 3.25Å; C54-R58 PolarHBondContact O-N 3.44Å; C54-K59 PolarHBondContact N-O 3.23Å
55P90.9Very high73.8Confident60 Ų6094.4 Ų94.439%0.3949%0.494SS..THydrogen-bonded Turntrans-59.1-28.4178.1-29.237.4000114.5I12 F29 I37 K53I12-P55 HydrophobicContact CD1-CG 4.15Å; F29-P55 HydrophobicContact CD1-CG 4.5Å; F29-P55 HydrophobicContact CE1-CB 3.88Å; F29-P55 HydrophobicContact CE1-CG 3.94Å; F29-P55 HydrophobicContact CZ-CB 4.1Å; F29-P55 HydrophobicContact CZ-CG 4.05Å; I37-P55 HydrophobicContact CD1-CG 3.64Å; K53-P55 WeakPolarHBondContact O-CD 3.4Å
56T93.3Very high75.4Confident75 Ų7591.9 Ų91.946%0.4648%0.476SS..THydrogen-bonded Turntrans-87.3-53.2-177.4-50.70000112.4F29 C54F29-T56 WeakPolarHBondContact CZ-OG1 3.46Å; C54-T56 PolarHBondContact O-N 3.47Å; C54-T56 PolarHBondContact SG-N 3.07Å; C54-T56 VanDerWaalsContact SG-N 3.45Å
57C94.4Very high77Confident45 Ų4589.8 Ų89.830%0.30447%0.465SS..THydrogen-bonded Turntrans-111.80.2-171.970.40000114.8C25 H27 C54 K59C25-C57 VanDerWaalsContact SG-SG 3.66Å; H27-C57 PolarHBondContact ND1-SG 2.96Å; H27-C57 VanDerWaalsContact ND1-SG 3.43Å; C54-C57 VanDerWaalsContact SG-SG 3.62Å; C57-K59 PolarHBondContact O-N 3.29Å
58R90.4Very high78.9Confident199 Ų19981 Ų8175%0.75144%0.44SS*.  trans59.85.4179.4-53.6-172.3-179.5103.2-0.1116.2C54 E60C54-R58 WeakPolarHBondContact O-CA 3.25Å; C54-R58 PolarHBondContact O-N 3.44Å; R58-E60 PolarHBondContact O-N 2.81Å
59K90.1Very high80.9Confident131 Ų13171.9 Ų71.957%0.5741%0.407SS*.  trans-59.1135.9171.6-70.5-177.7-179.3179.10109.9C25 C54 C57C25-K59 HydrophobicContact CB-CB 4.18Å; C25-K59 HydrophobicContact CB-CD 3.81Å; C54-K59 PolarHBondContact N-O 3.23Å; C57-K59 PolarHBondContact O-N 3.29Å
60E86.6Confident82.9Confident127 Ų12772.4 Ų72.459%0.59340%0.398SS*.EExtended strand (participates in β ladder)trans-66.6139.9176.2-68.5-177.8-178.300110.2K53 R58K53-E60 HydrophobicContact CG-CG 4.18Å; R58-E60 PolarHBondContact O-N 2.81Å
61T79.9Confident84.7Confident2 Ų271 Ų711%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-112.2118.1179.4-600000108.6L23 P24 F52 A63 L69L23-T61 WeakPolarHBondContact CD2-OG1 3.49Å; L23-T61 HydrophobicContact CG-CG2 4.41Å; P24-T61 HydrophobicContact CG-CG2 4.28Å; F52-T61 HydrophobicContact CE1-CG2 3.69Å; F52-T61 HydrophobicContact CE2-CG2 4.47Å; F52-T61 HydrophobicContact CZ-CG2 3.66Å; F52-T61 WeakPolarHBondContact O-CB 3.38Å; F52-T61 PolarHBondContact O-N 3.13Å; T61-A63 HydrophobicContact CG2-CB 3.63Å; T61-A63 PolarHBondContact O-N 3.03Å; T61-L69 HydrophobicContact CG2-CD2 4.41Å
62S72.5Confident86.1Confident107 Ų10769.5 Ų69.575%0.74837%0.372SS*.  trans-80.615.4178.559.10000113.5T64S62-T64 PolarHBondContact O-N 3.43Å
63A69.9Low87Confident23 Ų2376.7 Ų76.719%0.1940%0.4CS..  trans-72.3129.1-176.700000110.7F52 T61 G65 L69F52-A63 HydrophobicContact CE1-CB 4.41Å; T61-A63 HydrophobicContact CG2-CB 3.63Å; T61-A63 PolarHBondContact O-N 3.03Å; A63-G65 PolarHBondContact O-N 3.38Å; A63-L69 HydrophobicContact CB-CD2 3.53Å; A63-L69 HydrophobicContact CB-CG 4.11Å
64T69.1Low87.4Confident136 Ų13675.3 Ų75.383%0.83441%0.405SS*.SBendtrans-78.953.6176.743.90000111.2S62 S68S62-T64 PolarHBondContact O-N 3.43Å; T64-S68 PolarHBondContact N-OG 3.12Å
65G77.6Confident87.7Confident25 Ų2576.1 Ų76.126%0.25841%0.41SS..SBendtrans100.4161.6-179.200000114.2A63 N67 S68A63-G65 PolarHBondContact O-N 3.38Å; G65-N67 VanDerWaalsContact C-N 3.3Å; G65-N67 PolarHBondContact O-N 3.21Å; G65-S68 WeakPolarHBondContact O-CB 3.48Å; G65-S68 PolarHBondContact O-N 3.24Å; G65-S68 VanDerWaalsContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 3.46Å
66I83.1Confident88Confident9 Ų976.8 Ų76.85%0.04641%0.406CS..G310 helixtrans-64.3-33.4-171.3-54.4-45.2000112.5R21 K31 L34 E35 L38 F52 S68 L69R21-I66 HydrophobicContact CG-CG2 4.45Å; K31-I66 HydrophobicContact CG-CG2 3.96Å; L34-I66 HydrophobicContact CB-CD1 3.6Å; L34-I66 HydrophobicContact CB-CG1 3.97Å; L34-I66 HydrophobicContact CB-CG2 3.94Å; L34-I66 HydrophobicContact CD1-CG2 4.3Å; E35-I66 HydrophobicContact CG-CB 4.25Å; E35-I66 HydrophobicContact CG-CG1 4.14Å; E35-I66 HydrophobicContact CG-CG2 4.23Å; L38-I66 HydrophobicContact CD2-CD1 4.38Å; L38-I66 HydrophobicContact CD2-CG1 4.2Å; F52-I66 HydrophobicContact CE1-CD1 4.23Å; F52-I66 HydrophobicContact CZ-CD1 4.22Å; I66-S68 PolarHBondContact O-N 3.31Å; I66-L69 HydrophobicContact CD1-CD1 4.23Å; I66-L69 HydrophobicContact CG2-CD1 4.46Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 2.95Å
67N84.4Confident88.2Confident118 Ų11874.1 Ų74.163%0.63139%0.394SS*.G310 helixtrans-67.2-18.8178.8-67.9-40000113.4K31 G65 L69K31-N67 VanDerWaalsContact CE-OD1 3.31Å; K31-N67 WeakPolarHBondContact CE-OD1 3.47Å; K31-N67 PolarHBondContact NZ-OD1 2.98Å; G65-N67 VanDerWaalsContact C-N 3.3Å; G65-N67 PolarHBondContact O-N 3.21Å; N67-L69 VanDerWaalsContact C-N 3.3Å
68S87.5Confident88.3Confident53 Ų5376 Ų7637%0.37140%0.4SS..G310 helixtrans-78.4-15.8174.172.10000113T64 G65 I66T64-S68 PolarHBondContact N-OG 3.12Å; G65-S68 WeakPolarHBondContact O-CB 3.48Å; G65-S68 PolarHBondContact O-N 3.24Å; G65-S68 VanDerWaalsContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 3.46Å; I66-S68 PolarHBondContact O-N 3.31Å
69L91.4Very high88.6Confident9 Ų967 Ų675%0.04737%0.367CS..SBendtrans-75.8134.6179.2-62.7172.5000110.8R21 L23 L34 F52 T61 A63 I66 N67R21-L69 HydrophobicContact CB-CB 4.07Å; R21-L69 HydrophobicContact CB-CD1 4.28Å; R21-L69 PolarHBondContact NH1-O 3.42Å; L23-L69 HydrophobicContact CD1-CD1 4.43Å; L34-L69 HydrophobicContact CD1-CD1 3.62Å; F52-L69 HydrophobicContact CZ-CD1 4.32Å; T61-L69 HydrophobicContact CG2-CD2 4.41Å; A63-L69 HydrophobicContact CB-CD2 3.53Å; A63-L69 HydrophobicContact CB-CG 4.11Å; I66-L69 HydrophobicContact CD1-CD1 4.23Å; I66-L69 HydrophobicContact CG2-CD1 4.46Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 2.95Å; N67-L69 VanDerWaalsContact C-N 3.3Å
70Q94.8Very high88.8Confident139 Ų13965.2 Ų65.265%0.6536%0.361SS*.PPolyproline II helixtrans-65.4144.2177.9-61.1-59.9-48.600110.7R21 V22R21-Q70 WeakPolarHBondContact CA-O 3.44Å; V22-Q70 HydrophobicContact CG1-CB 3.91Å; V22-Q70 PolarHBondContact N-O 3.06Å
71V96.8Very high89.1Confident20 Ų2066 Ų6612%0.12136%0.362CS..BIsolated β-bridgetrans-79133170.5-177.90000108.5P20 R21 Y73P20-V71 CarbonylContact O-C 3.56Å; P20-V71 WeakPolarHBondContact O-CA 3.45Å; R21-V71 VanDerWaalsContact NH1-CG2 3.26Å; V71-Y73 HydrophobicContact CB-CD2 4.14Å; V71-Y73 HydrophobicContact CB-CE1 4.34Å; V71-Y73 HydrophobicContact CB-CE2 3.77Å; V71-Y73 HydrophobicContact CG1-CD1 4.14Å; V71-Y73 HydrophobicContact CG1-CD2 4.32Å; V71-Y73 HydrophobicContact CG1-CE1 4.07Å; V71-Y73 HydrophobicContact CG1-CE2 4.26Å; V71-Y73 HydrophobicContact CG1-CG 4.27Å; V71-Y73 WeakPolarHBondContact O-CD2 3.35Å; V71-Y73 PolarHBondContact O-N 3.43Å; V71-Y73 VanDerWaalsContact O-N 3.15Å
72N97.5Very high89.8Confident41 Ų4166.4 Ų66.422%0.21936%0.363CS..  trans-83.883.8169.1-170.3-22.2000109.9P20 V22 N28 S74 L75 K76P20-N72 HydrophobicContact CB-CB 4.43Å; P20-N72 HydrophobicContact CG-CB 4.49Å; P20-N72 PolarHBondContact O-N 3.43Å; V22-N72 HydrophobicContact CB-CB 4.46Å; N28-N72 PolarHBondContact OD1-ND2 3.27Å; N72-S74 PolarHBondContact O-N 2.96Å; N72-S74 PolarHBondContact OD1-N 2.89Å; N72-L75 HydrophobicContact CB-CB 4.05Å; N72-L75 PolarHBondContact O-N 3.23Å; N72-L75 PolarHBondContact OD1-N 2.95Å; N72-K76 PolarHBondContact O-N 3.46Å
73Y97.4Very high90.7Very high170 Ų17064.2 Ų64.267%0.66734%0.343SS*.Hα-helixtrans-61.5-31-179.2-70-78.6000113.4V71 K76 G77V71-Y73 HydrophobicContact CB-CD2 4.14Å; V71-Y73 HydrophobicContact CB-CE1 4.34Å; V71-Y73 HydrophobicContact CB-CE2 3.77Å; V71-Y73 HydrophobicContact CG1-CD1 4.14Å; V71-Y73 HydrophobicContact CG1-CD2 4.32Å; V71-Y73 HydrophobicContact CG1-CE1 4.07Å; V71-Y73 HydrophobicContact CG1-CE2 4.26Å; V71-Y73 HydrophobicContact CG1-CG 4.27Å; V71-Y73 WeakPolarHBondContact O-CD2 3.35Å; V71-Y73 PolarHBondContact O-N 3.43Å; V71-Y73 VanDerWaalsContact O-N 3.15Å; Y73-K76 PolarHBondContact O-N 2.81Å; Y73-G77 PolarHBondContact O-N 2.83Å
74S97.5Very high91.6Very high92 Ų9270.5 Ų70.564%0.64337%0.366SS*.Hα-helixtrans-64.4-49.6175.8-63.20000111N72 K76 G77 I78N72-S74 PolarHBondContact O-N 2.96Å; N72-S74 PolarHBondContact OD1-N 2.89Å; S74-K76 PolarHBondContact O-N 3.02Å; S74-G77 PolarHBondContact O-N 3.49Å; S74-I78 VanDerWaalsContact O-CG1 3.25Å; S74-I78 WeakPolarHBondContact O-CG1 3.37Å; S74-I78 PolarHBondContact O-N 3.5Å
75L97.3Very high92.5Very high18 Ų1868.2 Ų68.29%0.09435%0.348CS..Hα-helixtrans-61.4-44.5176.3-179.756000111.5L8 F17 P20 N28 N72 G77 I78 V79L8-L75 HydrophobicContact CD2-CD1 3.74Å; F17-L75 HydrophobicContact CB-CD2 4.48Å; F17-L75 HydrophobicContact CB-CG 4.5Å; F17-L75 HydrophobicContact CD1-CD2 4.33Å; F17-L75 HydrophobicContact CD2-CD1 3.96Å; F17-L75 HydrophobicContact CD2-CD2 3.64Å; F17-L75 HydrophobicContact CD2-CG 3.99Å; F17-L75 HydrophobicContact CE2-CD1 4.38Å; F17-L75 HydrophobicContact CE2-CD2 3.86Å; F17-L75 HydrophobicContact CG-CD2 3.9Å; F17-L75 HydrophobicContact CG-CG 4.34Å; F17-L75 HydrophobicContact CZ-CD2 4.3Å; P20-L75 HydrophobicContact CB-CD2 3.85Å; P20-L75 HydrophobicContact CB-CG 4.28Å; P20-L75 HydrophobicContact CG-CB 4.29Å; P20-L75 HydrophobicContact CG-CD2 4.35Å; P20-L75 HydrophobicContact CG-CG 4.24Å; N28-L75 HydrophobicContact CB-CD2 3.65Å; N72-L75 HydrophobicContact CB-CB 4.05Å; N72-L75 PolarHBondContact O-N 3.23Å; N72-L75 PolarHBondContact OD1-N 2.95Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.2Å; L75-I78 PolarHBondContact O-N 3.01Å; L75-I78 VanDerWaalsContact O-N 3.17Å; L75-V79 HydrophobicContact CD1-CG2 4.44Å; L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 3.17Å
76K96.9Very high92.9Very high73 Ų7372 Ų7232%0.31736%0.357SS..Hα-helixtrans-55.4-48.7174.7-174.3177.1178.4175.60111.6P20 N72 Y73 S74 I78 V79 E80P20-K76 HydrophobicContact CG-CB 3.91Å; N72-K76 PolarHBondContact O-N 3.46Å; Y73-K76 PolarHBondContact O-N 2.81Å; S74-K76 PolarHBondContact O-N 3.02Å; K76-I78 VanDerWaalsContact C-N 3.33Å; K76-I78 PolarHBondContact O-N 3.48Å; K76-V79 PolarHBondContact O-N 2.99Å; K76-E80 WeakPolarHBondContact CE-OE1 3.07Å; K76-E80 WeakPolarHBondContact O-CG 3.25Å; K76-E80 PolarHBondContact O-N 3.37Å
77G97.3Very high92.8Very high20 Ų2078.2 Ų78.221%0.20639%0.389CS..Hα-helixtrans-65-33.1178.500000113.6Y73 S74 L75 K81Y73-G77 PolarHBondContact O-N 2.83Å; S74-G77 PolarHBondContact O-N 3.49Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.2Å; G77-K81 VanDerWaalsContact O-CG 3.29Å; G77-K81 WeakPolarHBondContact O-CG 3.33Å; G77-K81 PolarHBondContact O-N 3.31Å; G77-K81 VanDerWaalsContact O-N 3.07Å
78I96.3Very high92.5Very high84 Ų8475.2 Ų75.243%0.43138%0.378SS..Hα-helixtrans-68.2-45.2174.6-64.6161.5000110.3L8 S74 L75 K76 E80 K81 Y82L8-I78 HydrophobicContact CD1-CG2 4.01Å; L8-I78 HydrophobicContact CD2-CB 4.3Å; L8-I78 HydrophobicContact CD2-CG2 3.59Å; L8-I78 HydrophobicContact CG-CG2 4.44Å; S74-I78 VanDerWaalsContact O-CG1 3.25Å; S74-I78 WeakPolarHBondContact O-CG1 3.37Å; S74-I78 PolarHBondContact O-N 3.5Å; L75-I78 PolarHBondContact O-N 3.01Å; L75-I78 VanDerWaalsContact O-N 3.17Å; K76-I78 VanDerWaalsContact C-N 3.33Å; K76-I78 PolarHBondContact O-N 3.48Å; I78-E80 VanDerWaalsContact C-N 3.33Å; I78-E80 PolarHBondContact O-N 2.99Å; I78-K81 PolarHBondContact O-N 3.15Å; I78-Y82 WeakPolarHBondContact O-CB 3.42Å; I78-Y82 PolarHBondContact O-N 3.41Å
79V96.2Very high92Very high9 Ų978.8 Ų78.86%0.05540%0.4CS..Hα-helixtrans-59.8-43.1175.9172.30000111.6L8 L16 F17 L75 K76 K81 Y82 N83L8-V79 HydrophobicContact CB-CG2 4.19Å; L8-V79 HydrophobicContact CD2-CG2 4.19Å; L16-V79 HydrophobicContact CB-CG1 4.03Å; L16-V79 HydrophobicContact CD1-CG1 4.37Å; F17-V79 HydrophobicContact CB-CG2 4.17Å; L75-V79 HydrophobicContact CD1-CG2 4.44Å; L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 3.17Å; K76-V79 PolarHBondContact O-N 2.99Å; V79-K81 PolarHBondContact O-N 2.88Å; V79-Y82 WeakPolarHBondContact O-CB 3.44Å; V79-Y82 PolarHBondContact O-N 3.48Å; V79-N83 PolarHBondContact O-N 2.85Å; V79-N83 PolarHBondContact O-ND2 3.28Å
80E94.6Very high91.5Very high95 Ų9587.4 Ų87.444%0.44444%0.437SS..Hα-helixtrans-60.8-43.8176-73.7172.8-172.600112.1K76 I78 K84K76-E80 WeakPolarHBondContact CE-OE1 3.07Å; K76-E80 WeakPolarHBondContact O-CG 3.25Å; K76-E80 PolarHBondContact O-N 3.37Å; I78-E80 VanDerWaalsContact C-N 3.33Å; I78-E80 PolarHBondContact O-N 2.99Å; E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 3.19Å
81K94.1Very high91Very high143 Ų14385.9 Ų85.962%0.62243%0.431SS*.Hα-helixtrans-66.8-41.2175.8-72.4172.4-176.1179.50111.9G77 I78 V79 N83 K84 I85G77-K81 VanDerWaalsContact O-CG 3.29Å; G77-K81 WeakPolarHBondContact O-CG 3.33Å; G77-K81 PolarHBondContact O-N 3.31Å; G77-K81 VanDerWaalsContact O-N 3.07Å; I78-K81 PolarHBondContact O-N 3.15Å; V79-K81 PolarHBondContact O-N 2.88Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-N83 PolarHBondContact O-N 3.45Å; K81-K84 WeakPolarHBondContact O-CB 3.31Å; K81-K84 PolarHBondContact O-N 2.92Å; K81-I85 WeakPolarHBondContact O-CG1 3.35Å; K81-I85 PolarHBondContact O-N 2.91Å
82Y93.3Very high90.7Very high10 Ų1088.2 Ų88.24%0.03945%0.447CS..Hα-helixtrans-57.4-47.8176.5178.9-100.8000111.3M1 L4 E5 L8 L16 I78 V79 K84 I85 K86M1-Y82 HydrophobicContact CG-CE2 3.6Å; M1-Y82 HydrophobicContact SD-CE2 4.13Å; L4-Y82 HydrophobicContact CB-CE2 4.5Å; L4-Y82 HydrophobicContact CD2-CD2 3.95Å; L4-Y82 HydrophobicContact CD2-CE2 4.26Å; L4-Y82 HydrophobicContact CG-CD2 4.33Å; L4-Y82 HydrophobicContact CG-CE2 4.41Å; E5-Y82 HydrophobicContact CB-CE1 4.49Å; E5-Y82 WeakPolarHBondContact CB-OH 3.35Å; E5-Y82 HydrophobicContact CG-CE1 4.25Å; E5-Y82 PolarHBondContact OE2-OH 3.11Å; L8-Y82 HydrophobicContact CD1-CD1 4.27Å; L8-Y82 HydrophobicContact CD1-CD2 3.91Å; L8-Y82 HydrophobicContact CD1-CG 3.68Å; L16-Y82 HydrophobicContact CD1-CD1 3.92Å; L16-Y82 HydrophobicContact CD1-CE1 4.14Å; L16-Y82 HydrophobicContact CD2-CD1 4.24Å; L16-Y82 HydrophobicContact CD2-CE1 4.26Å; I78-Y82 WeakPolarHBondContact O-CB 3.42Å; I78-Y82 PolarHBondContact O-N 3.41Å; V79-Y82 WeakPolarHBondContact O-CB 3.44Å; V79-Y82 PolarHBondContact O-N 3.48Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3.1Å; Y82-I85 PolarHBondContact O-N 2.81Å; Y82-I85 VanDerWaalsContact O-N 3.13Å; Y82-K86 HydrophobicContact CE1-CB 4.49Å; Y82-K86 HydrophobicContact CE1-CD 3.79Å; Y82-K86 WeakPolarHBondContact O-CB 3.24Å; Y82-K86 PolarHBondContact O-N 3.3Å
83N91.2Very high90.5Very high61 Ų6190.5 Ų90.533%0.32646%0.462SS..Hα-helixtrans-59.9-41.1176.9-79.9-42000112.4L16 V79 K81 I85 K86 I87L16-N83 WeakPolarHBondContact CD1-OD1 3.12Å; V79-N83 PolarHBondContact O-N 2.85Å; V79-N83 PolarHBondContact O-ND2 3.28Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-N83 PolarHBondContact O-N 3.45Å; N83-I85 VanDerWaalsContact C-N 3.32Å; N83-I85 PolarHBondContact O-N 3.15Å; N83-K86 PolarHBondContact O-N 3.23Å; N83-I87 WeakPolarHBondContact O-CD1 3.34Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.48Å; N83-I87 PolarHBondContact O-N 2.8Å; N83-I87 VanDerWaalsContact O-N 3.12Å
84K90.2Very high90.3Very high155 Ų15583.1 Ų83.167%0.67444%0.435SS*.Hα-helixtrans-61.1-40.8175.2-70.2174.6-177.7178.70112.1E80 K81 Y82 S88E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 3.19Å; K81-K84 WeakPolarHBondContact O-CB 3.31Å; K81-K84 PolarHBondContact O-N 2.92Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3.1Å; K84-S88 WeakPolarHBondContact O-CB 3.37Å; K84-S88 PolarHBondContact O-N 2.86Å; K84-S88 VanDerWaalsContact O-N 3.12Å
85I87.8Confident90.1Very high89 Ų8989.1 Ų89.146%0.45645%0.45SS..Hα-helixtrans-71.5-41.5178.4-63.1163.9000110.9M1 K81 Y82 N83 I87 S88M1-I85 HydrophobicContact CE-CG2 3.52Å; M1-I85 HydrophobicContact SD-CG2 4Å; K81-I85 WeakPolarHBondContact O-CG1 3.35Å; K81-I85 PolarHBondContact O-N 2.91Å; Y82-I85 PolarHBondContact O-N 2.81Å; Y82-I85 VanDerWaalsContact O-N 3.13Å; N83-I85 VanDerWaalsContact C-N 3.32Å; N83-I85 PolarHBondContact O-N 3.15Å; I85-I87 VanDerWaalsContact C-N 3.26Å; I85-I87 PolarHBondContact O-N 3.28Å; I85-S88 WeakPolarHBondContact O-CB 3.44Å; I85-S88 PolarHBondContact O-N 3.04Å; I85-S88 VanDerWaalsContact O-N 3.12Å; I85-S88 PolarHBondContact O-OG 3.09Å
86K84.8Confident89.8Confident103 Ų10391.4 Ų91.445%0.44848%0.477SS..Hα-helixtrans-61-35180-174.4169.3179.11690112.4E5 Y82 N83E5-K86 IonicContact OE1-NZ 3.47Å; E5-K86 PolarHBondContact OE1-NZ 2.98Å; E5-K86 IonicContact OE2-NZ 3.27Å; E5-K86 PolarHBondContact OE2-NZ 3.45Å; Y82-K86 HydrophobicContact CE1-CB 4.49Å; Y82-K86 HydrophobicContact CE1-CD 3.79Å; Y82-K86 WeakPolarHBondContact O-CB 3.24Å; Y82-K86 PolarHBondContact O-N 3.3Å; N83-K86 PolarHBondContact O-N 3.23Å
87I81.5Confident89.6Confident140 Ų14090.4 Ų90.472%0.71847%0.473SS*.Hα-helixtrans-90.3-13.4179.8-54.9161.8000111.6N83 I85N83-I87 WeakPolarHBondContact O-CD1 3.34Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.48Å; N83-I87 PolarHBondContact O-N 2.8Å; N83-I87 VanDerWaalsContact O-N 3.12Å; I85-I87 VanDerWaalsContact C-N 3.26Å; I85-I87 PolarHBondContact O-N 3.28Å
88S78.8Confident89.3Confident55 Ų5597.9 Ų97.939%0.38551%0.508SS..SBendtrans-63.6136.6-179.870.20000111.4K84 I85 K90K84-S88 WeakPolarHBondContact O-CB 3.37Å; K84-S88 PolarHBondContact O-N 2.86Å; K84-S88 VanDerWaalsContact O-N 3.12Å; I85-S88 WeakPolarHBondContact O-CB 3.44Å; I85-S88 PolarHBondContact O-N 3.04Å; I85-S88 VanDerWaalsContact O-N 3.12Å; I85-S88 PolarHBondContact O-OG 3.09Å; S88-K90 PolarHBondContact O-N 3.12Å; S88-K90 VanDerWaalsContact O-N 3.12Å
89P77Confident89Confident128 Ų12896.5 Ų96.583%0.83151%0.514SS*.PPolyproline II helixtrans-61.2119.5178.422.5-30.3000109.3M91P89-M91 PolarHBondContact O-N 3.23Å
90K80.1Confident88.8Confident190 Ų19099.3 Ų99.383%0.82653%0.527SS*.PPolyproline II helixtrans-68.7127.3173.6-68.8-175.2-179.6175.90108.4S88S88-K90 PolarHBondContact O-N 3.12Å; S88-K90 VanDerWaalsContact O-N 3.12Å
91M84Confident88.8Confident107 Ų10796.7 Ų96.753%0.52752%0.518SS..PPolyproline II helixtrans-58.4128.4173.6-159.1140.666.100108.3P89 P101 N103P89-M91 PolarHBondContact O-N 3.23Å; M91-P101 HydrophobicContact CE-CB 3.53Å; M91-P101 HydrophobicContact CE-CG 4.22Å; M91-P101 HydrophobicContact CG-CB 4.2Å; M91-N103 HydrophobicContact CE-CB 3.78Å; M91-N103 HydrophobicContact SD-CB 3.68Å
92P90.9Very high88.8Confident70 Ų7091.5 Ų91.546%0.45550%0.497SS..PPolyproline II helixtrans-63.7151-179.123.8-29.1000109.7L102P92-L102 HydrophobicContact CB-CD1 4.13Å; P92-L102 HydrophobicContact CG-CB 4.15Å; P92-L102 HydrophobicContact CG-CD1 4.35Å; P92-L102 WeakPolarHBondContact O-CB 3.3Å; P92-L102 PolarHBondContact O-N 3.07Å
93V94.1Very high88.8Confident89 Ų8995.2 Ų95.254%0.53952%0.518SS..BIsolated β-bridgetrans-105.2148.9-178-65.70000110.9Q100V93-Q100 CarbonylContact C-O 3.52Å; V93-Q100 WeakPolarHBondContact CA-O 3.42Å
94C93.3Very high88.9Confident15 Ų1594.4 Ų94.410%0.10151%0.513CS..  trans-66.8133.8178.5-174.30000110.8H97 Q100 L102 C114C94-H97 HydrophobicContact CB-CB 4.13Å; C94-H97 PolarHBondContact SG-ND1 3.1Å; C94-Q100 HydrophobicContact CB-CB 4.28Å; C94-Q100 PolarHBondContact N-O 3.47Å; C94-L102 HydrophobicContact CB-CD2 3.73Å; C94-L102 HydrophobicContact CB-CG 4.4Å; C94-C114 HydrophobicContact CB-CB 3.89Å; C94-C114 VanDerWaalsContact SG-SG 3.7Å
95K92.1Very high89.1Confident218 Ų21890.3 Ų90.395%0.94850%0.495SS*.SBendtrans-69.3-32177.9-64-179.9-178.7175.90112.9
96G91.8Very high89.5Confident65 Ų6586 Ų8667%0.6747%0.473SS*.SBendtrans-89.7-17.6-179.500000114.4
97H91.4Very high90Very high52 Ų5285 Ų8524%0.24147%0.472CS..SBendtrans-130.1102.3-175.2-56.3113.3000110.7C94 G99 Q100 C114 I116 C117C94-H97 HydrophobicContact CB-CB 4.13Å; C94-H97 PolarHBondContact SG-ND1 3.1Å; H97-G99 PolarHBondContact O-N 2.9Å; H97-Q100 HydrophobicContact CB-CB 3.89Å; H97-Q100 HydrophobicContact CB-CG 3.6Å; H97-Q100 WeakPolarHBondContact O-CB 3.15Å; H97-Q100 PolarHBondContact O-N 3.14Å; H97-Q100 VanDerWaalsContact O-N 3.09Å; H97-C114 PolarHBondContact ND1-SG 3.04Å; H97-I116 HydrophobicContact CB-CD1 4.23Å; H97-I116 WeakPolarHBondContact NE2-CG2 3.19Å; H97-C117 VanDerWaalsContact CE1-SG 3.52Å; H97-C117 PolarHBondContact ND1-SG 3.3Å; H97-C117 VanDerWaalsContact ND1-SG 3.44Å
98L92.3Very high90.6Very high178 Ų17881.8 Ų81.893%0.93246%0.459SS*.THydrogen-bonded Turntrans-55.3125.2-173.1-172.367.6000111.8Q100L98-Q100 PolarHBondContact O-N 3.3Å
99G89.5Confident91.3Very high55 Ų5582.2 Ų82.257%0.56746%0.457SS*.THydrogen-bonded Turntrans72.71.2176.900000115.3H97H97-G99 PolarHBondContact O-N 2.9Å
100Q93.1Very high92.1Very high68 Ų6882.6 Ų82.632%0.31845%0.449SS..  trans-80.5126.2178.5-65.5-59.9-59.300110.9V93 C94 H97 L98 C114 I116V93-Q100 CarbonylContact C-O 3.52Å; V93-Q100 WeakPolarHBondContact CA-O 3.42Å; C94-Q100 HydrophobicContact CB-CB 4.28Å; C94-Q100 PolarHBondContact N-O 3.47Å; H97-Q100 HydrophobicContact CB-CB 3.89Å; H97-Q100 HydrophobicContact CB-CG 3.6Å; H97-Q100 WeakPolarHBondContact O-CB 3.15Å; H97-Q100 PolarHBondContact O-N 3.14Å; H97-Q100 VanDerWaalsContact O-N 3.09Å; L98-Q100 PolarHBondContact O-N 3.3Å; Q100-C114 HydrophobicContact CB-CB 3.68Å; Q100-I116 HydrophobicContact CG-CD1 3.65Å; Q100-I116 HydrophobicContact CG-CG1 4.06Å
101P93.6Very high92.7Very high40 Ų4078 Ų7826%0.2643%0.431SS..BIsolated β-bridgetrans-71.7143.4179.229.7-34000111.2M91 N103 C114M91-P101 HydrophobicContact CE-CB 3.53Å; M91-P101 HydrophobicContact CE-CG 4.22Å; M91-P101 HydrophobicContact CG-CB 4.2Å; P101-N103 PolarHBondContact O-N 3.47Å; P101-N103 PolarHBondContact O-OD1 2.96Å; P101-C114 VanDerWaalsContact O-CA 3.27Å; P101-C114 WeakPolarHBondContact O-CA 3.39Å; P101-C114 WeakPolarHBondContact O-CB 3.45Å
102L94.4Very high93.2Very high33 Ų3377 Ų7717%0.17343%0.427CS..  trans-86.390.4169.1-64.4179.7000108.7P92 C94 L112 I113 C114P92-L102 HydrophobicContact CB-CD1 4.13Å; P92-L102 HydrophobicContact CG-CB 4.15Å; P92-L102 HydrophobicContact CG-CD1 4.35Å; P92-L102 WeakPolarHBondContact O-CB 3.3Å; P92-L102 PolarHBondContact O-N 3.07Å; C94-L102 HydrophobicContact CB-CD2 3.73Å; C94-L102 HydrophobicContact CB-CG 4.4Å; L102-L112 HydrophobicContact CB-CB 4Å; L102-I113 WeakPolarHBondContact CA-O 3.4Å; L102-I113 VanDerWaalsContact CD2-C 3.49Å; L102-C114 HydrophobicContact CD2-CB 4.25Å
103N92.8Very high93.3Very high89 Ų8973.8 Ų73.848%0.47641%0.406SS..  trans-132.19.9-171.970.8-30.4000114.4M91 P101 I113M91-N103 HydrophobicContact CE-CB 3.78Å; M91-N103 HydrophobicContact SD-CB 3.68Å; P101-N103 PolarHBondContact O-N 3.47Å; P101-N103 PolarHBondContact O-OD1 2.96Å; N103-I113 PolarHBondContact N-O 3.09Å; N103-I113 VanDerWaalsContact N-O 3.17Å
104I93.3Very high93.4Very high43 Ų4369.6 Ų69.622%0.22138%0.381CS..EExtended strand (participates in β ladder)trans-121130.5175.5-60.2173.2000107.6L112 I113 A118 F128I104-L112 CarbonylContact O-C 3.59Å; I104-L112 WeakPolarHBondContact O-CA 3.46Å; I104-I113 HydrophobicContact CB-CG1 4.02Å; I104-I113 HydrophobicContact CG2-CD1 4.46Å; I104-I113 HydrophobicContact CG2-CG1 4.12Å; I104-I113 PolarHBondContact N-O 3.17Å; I104-I113 VanDerWaalsContact N-O 3.15Å; I104-I113 PolarHBondContact O-N 3.3Å; I104-A118 HydrophobicContact CD1-CB 4.04Å; I104-F128 HydrophobicContact CG2-CB 3.97Å; I104-F128 HydrophobicContact CG2-CD1 4.22Å; I104-F128 HydrophobicContact CG2-CG 4.18Å
105F95.3Very high93.4Very high69 Ų6970.1 Ų70.130%0.30339%0.389SS..EExtended strand (participates in β ladder)trans-92.6116.5176.9-170.1-107.6000110.4L107 M110 L112 F128 C129F105-L107 HydrophobicContact CD1-CD2 3.74Å; F105-L107 HydrophobicContact CD1-CG 4.37Å; F105-L107 HydrophobicContact CE1-CD2 3.78Å; F105-L107 PolarHBondContact O-N 3.27Å; F105-M110 HydrophobicContact CE1-SD 4.18Å; F105-M110 HydrophobicContact CZ-CE 4.31Å; F105-M110 HydrophobicContact CZ-SD 4.16Å; F105-L112 HydrophobicContact CB-CD2 4.28Å; F105-L112 HydrophobicContact CD2-CD2 4.28Å; F105-L112 HydrophobicContact CD2-CG 4.38Å; F105-F128 WeakPolarHBondContact O-CA 3.48Å; F105-C129 HydrophobicContact CB-CB 4.4Å; F105-C129 PolarHBondContact O-N 3.24Å
106C94.9Very high93.5Very high0 Ų062.4 Ų62.40%036%0.357CS..EExtended strand (participates in β ladder)trans-81.2114.5172.2-175.70000109.4T108 D109 M110 Q111 I113C106-T108 VanDerWaalsContact C-N 3.32Å; C106-D109 PolarHBondContact SG-OD2 3.03Å; C106-M110 VanDerWaalsContact O-CA 3.28Å; C106-M110 WeakPolarHBondContact O-CA 3.48Å; C106-M110 PolarHBondContact O-N 2.75Å; C106-Q111 PolarHBondContact N-O 3.34Å; C106-Q111 PolarHBondContact O-N 3.36Å; C106-I113 HydrophobicContact CB-CD1 4.07Å; C106-I113 HydrophobicContact CB-CG1 4.31Å; C106-I113 HydrophobicContact CB-CG2 4.1Å
107L95.4Very high93.6Very high80 Ų8060 Ų6042%0.41933%0.33SS..THydrogen-bonded Turntrans-73.4-25.7178.2-66.3171.3000112.3F105 V127 C129F105-L107 HydrophobicContact CD1-CD2 3.74Å; F105-L107 HydrophobicContact CD1-CG 4.37Å; F105-L107 HydrophobicContact CE1-CD2 3.78Å; F105-L107 PolarHBondContact O-N 3.27Å; L107-V127 HydrophobicContact CB-CB 4.31Å; L107-V127 WeakPolarHBondContact CB-O 3Å; L107-V127 HydrophobicContact CD1-CB 4.48Å; L107-V127 HydrophobicContact CD1-CG1 3.89Å; L107-V127 PolarHBondContact N-O 3.08Å; L107-C129 HydrophobicContact CD1-CB 4.36Å; L107-C129 HydrophobicContact CD2-CB 4.36Å; L107-C129 HydrophobicContact CG-CB 4.34Å
108T94.1Very high93.7Very high74 Ų7458 Ų5845%0.45432%0.323SS..THydrogen-bonded Turntrans-71.3-43.5179.1-550000111.7C106 H126 V127C106-T108 VanDerWaalsContact C-N 3.32Å; T108-H126 HydrophobicContact CG2-CB 4.46Å; T108-H126 WeakPolarHBondContact OG1-CB 3.48Å; T108-V127 PolarHBondContact OG1-N 3.25Å
109D93.2Very high93.7Very high64 Ų6454.3 Ų54.334%0.34231%0.307SS..THydrogen-bonded Turntrans-104.71-176.6-48.6-66.9000113.3C106 Q111 H123 H126C106-D109 PolarHBondContact SG-OD2 3.03Å; D109-Q111 VanDerWaalsContact C-N 3.32Å; D109-Q111 HydrophobicContact CB-CG 3.88Å; D109-Q111 PolarHBondContact O-N 3.35Å; D109-H123 IonicContact OD2-CE1 3.02Å; D109-H123 PolarHBondContact OD2-CE1 3.13Å; D109-H123 IonicContact OD2-CG 3.96Å; D109-H123 IonicContact OD2-ND1 2.66Å; D109-H123 PolarHBondContact OD2-ND1 3.49Å; D109-H126 IonicContact OD1-CE1 3.17Å; D109-H126 PolarHBondContact OD1-CE1 3.47Å; D109-H126 IonicContact OD1-ND1 3.72Å; D109-H126 IonicContact OD2-CE1 3.51Å; D109-H126 PolarHBondContact OD2-CE1 3.37Å; D109-H126 IonicContact OD2-CG 3.93Å; D109-H126 IonicContact OD2-ND1 2.67Å; D109-H126 PolarHBondContact OD2-ND1 2.85Å
110M93.9Very high93.5Very high135 Ų13562.1 Ų62.167%0.66532%0.32SS*.THydrogen-bonded Turntrans53.343.6178.8-63.9-67.1-72.900113.7F105 C106F105-M110 HydrophobicContact CE1-SD 4.18Å; F105-M110 HydrophobicContact CZ-CE 4.31Å; F105-M110 HydrophobicContact CZ-SD 4.16Å; C106-M110 VanDerWaalsContact O-CA 3.28Å; C106-M110 WeakPolarHBondContact O-CA 3.48Å; C106-M110 PolarHBondContact O-N 2.75Å
111Q93.5Very high92.8Very high95 Ų9560 Ų6044%0.44432%0.316SS..EExtended strand (participates in β ladder)trans-144.4156-177.861.8-178.7-31.200112.8C106 D109 I113C106-Q111 PolarHBondContact N-O 3.34Å; C106-Q111 PolarHBondContact O-N 3.36Å; D109-Q111 VanDerWaalsContact C-N 3.32Å; D109-Q111 HydrophobicContact CB-CG 3.88Å; D109-Q111 PolarHBondContact O-N 3.35Å; Q111-I113 HydrophobicContact CG-CG2 4.12Å
112L94.3Very high92.2Very high84 Ų8466.2 Ų66.244%0.4434%0.342SS..EExtended strand (participates in β ladder)trans-75.4131.3169.7-74.1168.5000110.3L102 I104 F105L102-L112 HydrophobicContact CB-CB 4Å; I104-L112 CarbonylContact O-C 3.59Å; I104-L112 WeakPolarHBondContact O-CA 3.46Å; F105-L112 HydrophobicContact CB-CD2 4.28Å; F105-L112 HydrophobicContact CD2-CD2 4.28Å; F105-L112 HydrophobicContact CD2-CG 4.38Å
113I94.3Very high91.8Very high4 Ų465.3 Ų65.32%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-123.8167.1177.366.4169.7000110.2L102 N103 I104 C106 Q111 C117 A118 H123 F128L102-I113 WeakPolarHBondContact CA-O 3.4Å; L102-I113 VanDerWaalsContact CD2-C 3.49Å; N103-I113 PolarHBondContact N-O 3.09Å; N103-I113 VanDerWaalsContact N-O 3.17Å; I104-I113 HydrophobicContact CB-CG1 4.02Å; I104-I113 HydrophobicContact CG2-CD1 4.46Å; I104-I113 HydrophobicContact CG2-CG1 4.12Å; I104-I113 PolarHBondContact N-O 3.17Å; I104-I113 VanDerWaalsContact N-O 3.15Å; I104-I113 PolarHBondContact O-N 3.3Å; C106-I113 HydrophobicContact CB-CD1 4.07Å; C106-I113 HydrophobicContact CB-CG1 4.31Å; C106-I113 HydrophobicContact CB-CG2 4.1Å; Q111-I113 HydrophobicContact CG-CG2 4.12Å; I113-C117 HydrophobicContact CB-CB 3.82Å; I113-C117 HydrophobicContact CD1-CB 4.19Å; I113-C117 HydrophobicContact CG1-CB 4.41Å; I113-C117 HydrophobicContact CG2-CB 4.49Å; I113-A118 HydrophobicContact CD1-CB 3.86Å; I113-H123 HydrophobicContact CD1-CB 3.75Å; I113-F128 HydrophobicContact CD1-CD1 4.12Å; I113-F128 HydrophobicContact CD1-CE1 3.76Å
114C95.1Very high91.6Very high0 Ų064.6 Ų64.60%034%0.335CS..  trans-96.4167.4172.672.30000112.2C94 H97 Q100 P101 L102 I116 C117 A118C94-C114 HydrophobicContact CB-CB 3.89Å; C94-C114 VanDerWaalsContact SG-SG 3.7Å; H97-C114 PolarHBondContact ND1-SG 3.04Å; Q100-C114 HydrophobicContact CB-CB 3.68Å; P101-C114 VanDerWaalsContact O-CA 3.27Å; P101-C114 WeakPolarHBondContact O-CA 3.39Å; P101-C114 WeakPolarHBondContact O-CB 3.45Å; L102-C114 HydrophobicContact CD2-CB 4.25Å; C114-I116 PolarHBondContact O-N 3.03Å; C114-C117 WeakPolarHBondContact O-CB 3.4Å; C114-C117 PolarHBondContact O-N 2.89Å; C114-C117 VanDerWaalsContact O-N 3.08Å; C114-A118 PolarHBondContact O-N 3.12Å; C114-A118 VanDerWaalsContact O-N 3.13Å
115G93.2Very high91.4Very high26 Ų2671.8 Ų71.827%0.26837%0.365SS..Hα-helixtrans-57.3-31.4178.300000114.5A118 T119G115-A118 PolarHBondContact O-N 3.08Å; G115-T119 WeakPolarHBondContact O-CB 3.45Å; G115-T119 WeakPolarHBondContact O-CG2 3.25Å; G115-T119 PolarHBondContact O-N 3.11Å; G115-T119 VanDerWaalsContact O-N 3.11Å; G115-T119 PolarHBondContact O-OG1 2.65Å
116I94.4Very high91.3Very high56 Ų5671.3 Ų71.329%0.28736%0.363SS..Hα-helixtrans-71.1-43.5176.3-53.6-173.5000110.8H97 Q100 C114 A118 T119 R120 G121H97-I116 HydrophobicContact CB-CD1 4.23Å; H97-I116 WeakPolarHBondContact NE2-CG2 3.19Å; Q100-I116 HydrophobicContact CG-CD1 3.65Å; Q100-I116 HydrophobicContact CG-CG1 4.06Å; C114-I116 PolarHBondContact O-N 3.03Å; I116-A118 PolarHBondContact O-N 2.91Å; I116-T119 PolarHBondContact O-N 3.44Å; I116-R120 HydrophobicContact CG2-CB 4.27Å; I116-R120 PolarHBondContact O-N 2.95Å; I116-G121 PolarHBondContact O-N 3.04Å
117C94.5Very high91.1Very high16 Ų1675.6 Ų75.611%0.10839%0.39CS..Hα-helixtrans-55-41.4173.8-71.10000111.6H97 I113 C114 G121 H123H97-C117 VanDerWaalsContact CE1-SG 3.52Å; H97-C117 PolarHBondContact ND1-SG 3.3Å; H97-C117 VanDerWaalsContact ND1-SG 3.44Å; I113-C117 HydrophobicContact CB-CB 3.82Å; I113-C117 HydrophobicContact CD1-CB 4.19Å; I113-C117 HydrophobicContact CG1-CB 4.41Å; I113-C117 HydrophobicContact CG2-CB 4.49Å; C114-C117 WeakPolarHBondContact O-CB 3.4Å; C114-C117 PolarHBondContact O-N 2.89Å; C114-C117 VanDerWaalsContact O-N 3.08Å; C117-G121 CarbonylContact O-C 3.54Å; C117-G121 PolarHBondContact O-N 3.1Å; C117-H123 WeakPolarHBondContact O-CB 3.34Å; C117-H123 PolarHBondContact O-N 3.3Å
118A93.5Very high90.8Very high10 Ų1075.6 Ų75.68%0.08339%0.386CS..Hα-helixtrans-72.4-32.1-178.900000114I104 I113 C114 G115 I116 T124 F128I104-A118 HydrophobicContact CD1-CB 4.04Å; I113-A118 HydrophobicContact CD1-CB 3.86Å; C114-A118 PolarHBondContact O-N 3.12Å; C114-A118 VanDerWaalsContact O-N 3.13Å; G115-A118 PolarHBondContact O-N 3.08Å; I116-A118 PolarHBondContact O-N 2.91Å; A118-T124 WeakPolarHBondContact O-CA 3.15Å; A118-F128 HydrophobicContact CB-CE1 4.2Å; A118-F128 HydrophobicContact CB-CE2 4.29Å; A118-F128 HydrophobicContact CB-CZ 3.9Å
119T91.1Very high90.1Very high99 Ų9978.8 Ų78.861%0.60741%0.41SS*.Hα-helixtrans-108.3-26.4-170.455.10000114.8G115 I116 T124G115-T119 WeakPolarHBondContact O-CB 3.45Å; G115-T119 WeakPolarHBondContact O-CG2 3.25Å; G115-T119 PolarHBondContact O-N 3.11Å; G115-T119 VanDerWaalsContact O-N 3.11Å; G115-T119 PolarHBondContact O-OG1 2.65Å; I116-T119 PolarHBondContact O-N 3.44Å; T119-T124 WeakPolarHBondContact O-CG2 3.49Å
120R85.9Confident89.9Confident220 Ų22079.5 Ų79.583%0.8341%0.413SS*.THydrogen-bonded Turntrans-137.1-7.8-174.2-67.9-176.9164.3-164.3-5113.8I116I116-R120 HydrophobicContact CG2-CB 4.27Å; I116-R120 PolarHBondContact O-N 2.95Å
121G77.5Confident89.7Confident23 Ų2376.6 Ų76.624%0.23740%0.4CS..SBendtrans-99.8-156.8-178.400000113.4I116 C117 H123 T124I116-G121 PolarHBondContact O-N 3.04Å; C117-G121 CarbonylContact O-C 3.54Å; C117-G121 PolarHBondContact O-N 3.1Å; G121-H123 PolarHBondContact O-N 3.17Å; G121-H123 VanDerWaalsContact O-N 3.17Å; G121-T124 WeakPolarHBondContact O-CG2 3.35Å
122E81.8Confident89.5Confident171 Ų17175.6 Ų75.680%0.79940%0.398SS*.THydrogen-bonded Turntrans-68.1-13.6-174.3-61.4178.4153.100113.6
123H86.7Confident89.2Confident14 Ų1475.1 Ų75.17%0.06540%0.395CS..THydrogen-bonded Turntrans-103.810.4-172.8-54.1-93.8000113.8D109 I113 C117 G121 K125 H126 F128D109-H123 IonicContact OD2-CE1 3.02Å; D109-H123 PolarHBondContact OD2-CE1 3.13Å; D109-H123 IonicContact OD2-CG 3.96Å; D109-H123 IonicContact OD2-ND1 2.66Å; D109-H123 PolarHBondContact OD2-ND1 3.49Å; I113-H123 HydrophobicContact CD1-CB 3.75Å; C117-H123 WeakPolarHBondContact O-CB 3.34Å; C117-H123 PolarHBondContact O-N 3.3Å; G121-H123 PolarHBondContact O-N 3.17Å; G121-H123 VanDerWaalsContact O-N 3.17Å; H123-K125 PolarHBondContact O-N 3.4Å; H123-H126 HydrophobicContact CB-CB 4.31Å; H123-H126 AromaticContact ND1-ND1 3.43Å; H123-H126 PolarHBondContact ND1-ND1 2.7Å; H123-H126 WeakPolarHBondContact O-CB 3.37Å; H123-H126 PolarHBondContact O-N 3.37Å; H123-F128 HydrophobicContact CB-CE1 4.16Å; H123-F128 WeakPolarHBondContact O-CE1 3.42Å; H123-F128 WeakPolarHBondContact O-CZ 3.44Å
124T88Confident88.9Confident73 Ų7379.5 Ų79.545%0.44842%0.419SS..THydrogen-bonded Turntrans-56.1-20-174.146.80000116.2A118 T119 G121A118-T124 WeakPolarHBondContact O-CA 3.15Å; T119-T124 WeakPolarHBondContact O-CG2 3.49Å; G121-T124 WeakPolarHBondContact O-CG2 3.35Å
125K88.9Confident88.5Confident195 Ų19584.8 Ų84.885%0.84845%0.447SS*.THydrogen-bonded Turntrans-112.57.9-180-60.5-178.5-177.9177.70113.2H123H123-K125 PolarHBondContact O-N 3.4Å
126H93.6Very high88.2Confident58 Ų5889 Ų8927%0.26946%0.459SS..SBendtrans-89.8164.7-175.1-66.8-171000111.4T108 D109 H123 F128T108-H126 HydrophobicContact CG2-CB 4.46Å; T108-H126 WeakPolarHBondContact OG1-CB 3.48Å; D109-H126 IonicContact OD1-CE1 3.17Å; D109-H126 PolarHBondContact OD1-CE1 3.47Å; D109-H126 IonicContact OD1-ND1 3.72Å; D109-H126 IonicContact OD2-CE1 3.51Å; D109-H126 PolarHBondContact OD2-CE1 3.37Å; D109-H126 IonicContact OD2-CG 3.93Å; D109-H126 IonicContact OD2-ND1 2.67Å; D109-H126 PolarHBondContact OD2-ND1 2.85Å; H123-H126 HydrophobicContact CB-CB 4.31Å; H123-H126 AromaticContact ND1-ND1 3.43Å; H123-H126 PolarHBondContact ND1-ND1 2.7Å; H123-H126 WeakPolarHBondContact O-CB 3.37Å; H123-H126 PolarHBondContact O-N 3.37Å; H126-F128 HydrophobicContact CB-CE1 3.99Å; H126-F128 HydrophobicContact CB-CZ 4.49Å; H126-F128 WeakPolarHBondContact O-CE2 3.31Å; H126-F128 WeakPolarHBondContact O-CZ 3.37Å
127V89.8Confident87.7Confident91 Ų9191.5 Ų91.555%0.55247%0.473SS*.  trans-91136.1178.4-167.80000108.9L107 T108L107-V127 HydrophobicContact CB-CB 4.31Å; L107-V127 WeakPolarHBondContact CB-O 3Å; L107-V127 HydrophobicContact CD1-CB 4.48Å; L107-V127 HydrophobicContact CD1-CG1 3.89Å; L107-V127 PolarHBondContact N-O 3.08Å; T108-V127 PolarHBondContact OG1-N 3.25Å
128F90.2Very high87.1Confident79 Ų7997.8 Ų97.835%0.34650%0.503SS..BIsolated β-bridgetrans-120.1156-176.8-43.2-59.2000111.6I104 F105 I113 A118 H123 H126I104-F128 HydrophobicContact CG2-CB 3.97Å; I104-F128 HydrophobicContact CG2-CD1 4.22Å; I104-F128 HydrophobicContact CG2-CG 4.18Å; F105-F128 WeakPolarHBondContact O-CA 3.48Å; I113-F128 HydrophobicContact CD1-CD1 4.12Å; I113-F128 HydrophobicContact CD1-CE1 3.76Å; A118-F128 HydrophobicContact CB-CE1 4.2Å; A118-F128 HydrophobicContact CB-CE2 4.29Å; A118-F128 HydrophobicContact CB-CZ 3.9Å; H123-F128 HydrophobicContact CB-CE1 4.16Å; H123-F128 WeakPolarHBondContact O-CE1 3.42Å; H123-F128 WeakPolarHBondContact O-CZ 3.44Å; H126-F128 HydrophobicContact CB-CE1 3.99Å; H126-F128 HydrophobicContact CB-CZ 4.49Å; H126-F128 WeakPolarHBondContact O-CE2 3.31Å; H126-F128 WeakPolarHBondContact O-CZ 3.37Å
129C78.6Confident86.5Confident141 Ų141105.8 Ų105.895%0.95354%0.541SS*.  trans-115.40166.8-173.80000109.2F105 L107F105-C129 HydrophobicContact CB-CB 4.4Å; F105-C129 PolarHBondContact O-N 3.24Å; L107-C129 HydrophobicContact CD1-CB 4.36Å; L107-C129 HydrophobicContact CD2-CB 4.36Å; L107-C129 HydrophobicContact CG-CB 4.34Å

Retrieved 129 of 129 residues in 30.7 ms (Link to these results)

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